N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]methanesulfonamide

C12H20N4O2S — CID 51079461

IUPACN-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]methanesulfonamide
SMILESCc1cc(N2CCCC(NS(C)(=O)=O)C2)nc(C)n1
InChIInChI=1S/C12H20N4O2S/c1-9-7-12(14-10(2)13-9)16-6-4-5-11(8-16)15-19(3,17)18/h7,11,15H,4-6,8H2,1-3H3
InChIKeySVTKHUQEZVXDKK-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.61
Rot. Bonds3

About N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]methanesulfonamide

N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]methanesulfonamide (PubChem CID 51079461) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]methanesulfonamide
PubChem CID51079461
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC NameN-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]methanesulfonamide
SMILESCc1cc(N2CCCC(NS(C)(=O)=O)C2)nc(C)n1
InChIInChI=1S/C12H20N4O2S/c1-9-7-12(14-10(2)13-9)16-6-4-5-11(8-16)15-19(3,17)18/h7,11,15H,4-6,8H2,1-3H3
InChIKeySVTKHUQEZVXDKK-UHFFFAOYSA-N
XLogP0.61
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 54592599
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CID 50988376
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CID 83707760
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CID 40104034
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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]methanesulfonamide (CID 51079461) is N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]methanesulfonamide is Cc1cc(N2CCCC(NS(C)(=O)=O)C2)nc(C)n1.
What is the InChIKey of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]methanesulfonamide?
The InChIKey is SVTKHUQEZVXDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-9-7-12(14-10(2)13-9)16-6-4-5-11(8-16)15-19(3,17)18/h7,11,15H,4-6,8H2,1-3H3.
What are the key properties of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]methanesulfonamide?
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]methanesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 51079461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).